[gmx-users] Fwd: Improve performance

陈照云 chenzhaoyun06 at gmail.com
Sat Apr 6 04:51:37 CEST 2013

I have some questions.
1. Is there any method for me to improve my mdrun performance?
    I have read the manual,and tested some option of mdrun,such as
-rdd,-rcon,-dds,-gcom. But they doesn't work. I have no idea about that.
2. Can gromacs 4.6.1 support K20?
   I want to use CPU+GPU. But I met some question when I compiled the mdrun
with k20.The question is that it can't find libopenmm.But I have installed
openmm5.1.I have no idea.


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